2-[(3R)-3-[3-[(3-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(3R)-3-[3-[(3-methoxyphenyl)methylamino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: 2-[(3R)-3-[3-[(3-methoxyphenyl)methylamino]-3-oxo-propyl]-1-piperidyl]pyridin-1-ium-3-carboxamide CAS Name: 2-[(3R)-3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]-1-piperidinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(3R)-3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: 2-[(3R)-3-[3-keto-3-(m-anisylamino)propyl]piperidino]pyridin-1-ium-3-carboxamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CCC2CCCN(C2)C3=C(C=CC=[NH+]3)C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CC[C@H]2CCCN(C2)C3=C(C=CC=[NH+]3)C(=O)N

InChI

InChI=1S/C22H28N4O3/c1-29-18-7-2-5-17(13-18)14-25-20(27)10-9-16-6-4-12-26(15-16)22-19(21(23)28)8-3-11-24-22/h2-3,5,7-8,11,13,16H,4,6,9-10,12,14-15H2,1H3,(H2,23,28)(H,25,27)/p+1/t16-/m1/s1