1-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-ethyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C27H30ClN5O+2 MolecularWeight: 476.013

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CC[NH+](CC4)CC5=C(C=CC(=C5)Cl)OC

Isomeric SMILES

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)N4CC[NH+](CC4)CC5=C(C=CC(=C5)Cl)OC

InChI

InChI=1S/C27H28ClN5O/c1-4-21-18(2)22(16-29)26-30-23-7-5-6-8-24(23)33(26)27(21)32-13-11-31(12-14-32)17-19-15-20(28)9-10-25(19)34-3/h5-10,15H,4,11-14,17H2,1-3H3/p+2