N-(3-nitrophenyl)-4-(quinolin-8-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-(quinolin-8-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(3-nitrophenyl)-4-(8-quinolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3-nitrophenyl)-4-(8-quinolinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-nitrophenyl)-4-(quinolin-8-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-nitrophenyl)-4-(8-quinolylmethyl)piperazin-4-ium-1-carboxamide Formula: C21H22N5O3+ MolecularWeight: 392.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c27-21(23-18-7-2-8-19(14-18)26(28)29)25-12-10-24(11-13-25)15-17-5-1-4-16-6-3-9-22-20(16)17/h1-9,14H,10-13,15H2,(H,23,27)/p+1