(3S)-N-(cyclopropylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(cyclopropylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(cyclopropylmethyl)-1-[1-(4-pyridylmethyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(cyclopropylmethyl)-1-[1-(pyridin-4-ylmethyl)-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(cyclopropylmethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(cyclopropylmethyl)-1-[1-(4-pyridylmethyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C21H33N4O+ MolecularWeight: 357.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=CC=NC=C3)C(=O)NCC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=CC=NC=C3)C(=O)NCC4CC4

InChI

InChI=1S/C21H32N4O/c26-21(23-14-17-3-4-17)19-2-1-11-25(16-19)20-7-12-24(13-8-20)15-18-5-9-22-10-6-18/h5-6,9-10,17,19-20H,1-4,7-8,11-16H2,(H,23,26)/p+1/t19-/m0/s1