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

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(4-pyridylmethyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(4-pyridylmethyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=CC=NC=C3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=CC=NC=C3)C(=O)NC4CC4

InChI

InChI=1S/C20H30N4O/c25-20(22-18-3-4-18)17-2-1-11-24(15-17)19-7-12-23(13-8-19)14-16-5-9-21-10-6-16/h5-6,9-10,17-19H,1-4,7-8,11-15H2,(H,22,25)/p+1/t17-/m0/s1