6-[(3R)-3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(3R)-3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3R)-3-(acetamidomethyl)-1-piperidyl]-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3R)-3-(acetamidomethyl)-1-piperidinyl]-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3R)-3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3R)-3-(acetamidomethyl)piperidino]-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CCCN(C1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

Isomeric SMILES

CC(=O)NC[C@H]1CCCN(C1)C2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3

InChI

InChI=1S/C22H29N5O2/c1-17(28)25-14-18-6-5-13-27(16-18)21-10-9-19(15-26-21)22(29)24-12-4-8-20-7-2-3-11-23-20/h2-3,7,9-11,15,18H,4-6,8,12-14,16H2,1H3,(H,24,29)(H,25,28)/p+1/t18-/m1/s1