(3S)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[[(1R)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-[[(1R)-1-(1-naphthyl)ethyl]amino]ethyl]piperidin-1-ium-3-carboxamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)C[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C20H25N3O2/c1-14(17-10-4-7-15-6-2-3-9-18(15)17)22-19(24)13-23-11-5-8-16(12-23)20(21)25/h2-4,6-7,9-10,14,16H,5,8,11-13H2,1H3,(H2,21,25)(H,22,24)/p+1/t14-,16+/m1/s1