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

Systemtic Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-(4-methyl-1-piperidyl)methanone CAS Name: [1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [1-(4-ethylbenzyl)piperidin-1-ium-4-yl]-(4-methylpiperidino)methanone Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC(CC3)C

InChI

InChI=1S/C21H32N2O/c1-3-18-4-6-19(7-5-18)16-22-12-10-20(11-13-22)21(24)23-14-8-17(2)9-15-23/h4-7,17,20H,3,8-16H2,1-2H3/p+1