(3S)-N,N-diethyl-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(4-methoxy-1-naphthyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(4-methoxy-1-naphthalenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[(4-methoxy-1-naphthyl)methyl]piperidin-1-ium-3-carboxamide Formula: C22H31N2O2+ MolecularWeight: 355.49374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC=C(C3=CC=CC=C23)OC

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=CC=C(C3=CC=CC=C23)OC

InChI

InChI=1S/C22H30N2O2/c1-4-24(5-2)22(25)18-9-8-14-23(16-18)15-17-12-13-21(26-3)20-11-7-6-10-19(17)20/h6-7,10-13,18H,4-5,8-9,14-16H2,1-3H3/p+1/t18-/m0/s1