N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-nitroanilino)propanamide CAS Name: N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-nitroanilino)propionamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])N3CC[NH+](CC3)C

InChI

InChI=1S/C21H27N5O3/c1-16-15-17(7-8-19(16)25-13-11-24(2)12-14-25)23-21(27)9-10-22-18-5-3-4-6-20(18)26(28)29/h3-8,15,22H,9-14H2,1-2H3,(H,23,27)/p+1