(4-methyl-3-piperazin-4-ium-1-yl-phenyl)-pyrrolidin-1-yl-methanone

Systemtic Name: (4-methyl-3-piperazin-4-ium-1-yl-phenyl)-pyrrolidin-1-yl-methanone Openeye Name: (4-methyl-3-piperazin-4-ium-1-yl-phenyl)-pyrrolidin-1-yl-methanone CAS Name: [4-methyl-3-(1-piperazin-4-iumyl)phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: (4-methyl-3-piperazin-4-ium-1-ylphenyl)-pyrrolidin-1-ylmethanone Traditional Name: (4-methyl-3-piperazin-4-ium-1-yl-phenyl)-pyrrolidino-methanone Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCC2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O/c1-13-4-5-14(16(20)19-8-2-3-9-19)12-15(13)18-10-6-17-7-11-18/h4-5,12,17H,2-3,6-11H2,1H3/p+1