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

Systemtic Name: N-(3-azanylpropyl)-N-[[7-chloranyl-4-oxidanidyl-3-(phenylmethyl)quinoxalin-4-ium-2-yl]-cyclopropyl-methyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[(3-benzyl-7-chloro-4-oxido-quinoxalin-4-ium-2-yl)-cyclopropyl-methyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[[7-chloro-4-oxido-3-(phenylmethyl)-2-quinoxalin-4-iumyl]-cyclopropylmethyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[(3-benzyl-7-chloro-4-oxidoquinoxalin-4-ium-2-yl)-cyclopropylmethyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[(3-benzyl-7-chloro-4-oxido-quinoxalin-4-ium-2-yl)-cyclopropyl-methyl]-4-methyl-benzamide Formula: C30H31ClN4O2 MolecularWeight: 515.04574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2CC2)C3=NC4=C(C=CC(=C4)Cl)[N+](=C3CC5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2CC2)C3=NC4=C(C=CC(=C4)Cl)[N+](=C3CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C30H31ClN4O2/c1-20-8-10-23(11-9-20)30(36)34(17-5-16-32)29(22-12-13-22)28-27(18-21-6-3-2-4-7-21)35(37)26-15-14-24(31)19-25(26)33-28/h2-4,6-11,14-15,19,22,29H,5,12-13,16-18,32H2,1H3