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

Systemtic Name: N-(3-azanylpropyl)-N-[cyclopropyl-[4-oxidanidyl-3-(phenylmethyl)quinoxalin-4-ium-2-yl]methyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[(3-benzyl-4-oxido-quinoxalin-4-ium-2-yl)-cyclopropyl-methyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[cyclopropyl-[4-oxido-3-(phenylmethyl)-2-quinoxalin-4-iumyl]methyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[(3-benzyl-4-oxidoquinoxalin-4-ium-2-yl)-cyclopropylmethyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[(3-benzyl-4-oxido-quinoxalin-4-ium-2-yl)-cyclopropyl-methyl]-4-methyl-benzamide Formula: C30H32N4O2 MolecularWeight: 480.60068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O2/c1-21-12-14-24(15-13-21)30(35)33(19-7-18-31)29(23-16-17-23)28-27(20-22-8-3-2-4-9-22)34(36)26-11-6-5-10-25(26)32-28/h2-6,8-15,23,29H,7,16-20,31H2,1H3