[(3S)-3-methylpiperidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone

Systemtic Name: [(3S)-3-methylpiperidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Openeye Name: [(3S)-3-methyl-1-piperidyl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone CAS Name: [(3S)-3-methyl-1-piperidinyl]-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methanone IUPAC Name: [(3S)-3-methylpiperidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Traditional Name: [(3S)-3-methylpiperidino]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Formula: C26H35N2O2+ MolecularWeight: 407.5683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O2/c1-21-6-5-16-28(20-21)26(29)23-9-11-24(12-10-23)30-25-14-18-27(19-15-25)17-13-22-7-3-2-4-8-22/h2-4,7-12,21,25H,5-6,13-20H2,1H3/p+1/t21-/m0/s1