(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: (2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: (2S)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-(6-methoxy-2-naphthyl)propanamide CAS Name: (2S)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-(6-methoxy-2-naphthalenyl)propanamide IUPAC Name: (2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2-(6-methoxynaphthalen-2-yl)propanamide Traditional Name: (2S)-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-(6-methoxy-2-naphthyl)propionamide Formula: C27H32N3O3+ MolecularWeight: 446.56128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c1-19(20-8-9-22-17-25(33-2)11-10-21(22)16-20)27(32)29-24-12-14-30(15-13-24)18-26(31)28-23-6-4-3-5-7-23/h3-11,16-17,19,24H,12-15,18H2,1-2H3,(H,28,31)(H,29,32)/p+1/t19-/m0/s1