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

Systemtic Name: (4-methylpiperidin-1-yl)-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-methyl-1-piperidyl)-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-methyl-1-piperidinyl)-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-methylpiperidin-1-yl)-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-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:

CC1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

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