(3S,5S)-3,5-dimethyl-1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperidine

Systemtic Name: (3S,5S)-3,5-dimethyl-1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperidine Openeye Name: (3S,5S)-3,5-dimethyl-1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperidine CAS Name: (3S,5S)-3,5-dimethyl-1-[1-[(2-nitrophenyl)methyl]-4-piperidin-1-iumyl]piperidine IUPAC Name: (3S,5S)-3,5-dimethyl-1-[1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperidine Traditional Name: (3S,5S)-3,5-dimethyl-1-[1-(2-nitrobenzyl)piperidin-1-ium-4-yl]piperidine Formula: C19H30N3O2+ MolecularWeight: 332.4604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C19H29N3O2/c1-15-11-16(2)13-21(12-15)18-7-9-20(10-8-18)14-17-5-3-4-6-19(17)22(23)24/h3-6,15-16,18H,7-14H2,1-2H3/p+1/t15-,16-/m0/s1