[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-naphthalen-2-yl-methanone

Systemtic Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-naphthalen-2-yl-methanone Openeye Name: 2-naphthyl-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: [(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(2-naphthalenyl)methanone IUPAC Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-naphthalen-2-ylmethanone Traditional Name: 2-naphthyl-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C27H32N3O+ MolecularWeight: 414.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H31N3O/c1-21-7-2-5-11-26(21)29-17-15-28(16-18-29)25-10-6-14-30(20-25)27(31)24-13-12-22-8-3-4-9-23(22)19-24/h2-5,7-9,11-13,19,25H,6,10,14-18,20H2,1H3/p+1/t25-/m0/s1