N-(3-azanylpropyl)-N-[(3-butyl-7-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-cyclopropyl-methyl]-4-methyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[(3-butyl-7-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-cyclopropyl-methyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[(3-butyl-7-chloro-4-oxido-quinoxalin-4-ium-2-yl)-cyclopropyl-methyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[(3-butyl-7-chloro-4-oxido-2-quinoxalin-4-iumyl)-cyclopropylmethyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[(3-butyl-7-chloro-4-oxidoquinoxalin-4-ium-2-yl)-cyclopropylmethyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[(3-butyl-7-chloro-4-oxido-quinoxalin-4-ium-2-yl)-cyclopropyl-methyl]-4-methyl-benzamide Formula: C27H33ClN4O2 MolecularWeight: 481.02952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C2=C(C=C(C=C2)Cl)N=C1C(C3CC3)N(CCCN)C(=O)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CCCCC1=[N+](C2=C(C=C(C=C2)Cl)N=C1C(C3CC3)N(CCCN)C(=O)C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C27H33ClN4O2/c1-3-4-6-24-25(30-22-17-21(28)13-14-23(22)32(24)34)26(19-11-12-19)31(16-5-15-29)27(33)20-9-7-18(2)8-10-20/h7-10,13-14,17,19,26H,3-6,11-12,15-16,29H2,1-2H3