(3S)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide

Systemtic Name: (3S)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide Openeye Name: (3S)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide CAS Name: (3S)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: (3S)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)propanamide Traditional Name: (3S)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)propionamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)CC(C2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C[C@@H](C2=CC(=CC=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H28N4O3/c29-24(25-11-14-27-12-4-1-5-13-27)16-21(18-7-6-8-19(15-18)28(30)31)22-17-26-23-10-3-2-9-20(22)23/h2-3,6-10,15,17,21,26H,1,4-5,11-14,16H2,(H,25,29)/p+1/t21-/m0/s1