(2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanamide CAS Name: (2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyramide Formula: C29H36N3O2+ MolecularWeight: 458.61504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H35N3O2/c1-21(2)28(31-27(33)19-24-13-8-12-23-11-6-7-14-26(23)24)29(34)30-25-15-17-32(18-16-25)20-22-9-4-3-5-10-22/h3-14,21,25,28H,15-20H2,1-2H3,(H,30,34)(H,31,33)/p+1/t28-/m0/s1