[(3S)-3-methylpiperidin-1-yl]-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [(3S)-3-methylpiperidin-1-yl]-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [(3S)-3-methyl-1-piperidyl]-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [(3S)-3-methyl-1-piperidinyl]-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [(3S)-3-methylpiperidin-1-yl]-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [(3S)-3-methylpiperidino]-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]methanone Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O2/c1-20-7-6-14-27(18-20)25(28)22-12-15-26(16-13-22)19-21-8-5-11-24(17-21)29-23-9-3-2-4-10-23/h2-5,8-11,17,20,22H,6-7,12-16,18-19H2,1H3/p+1/t20-/m0/s1