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

Systemtic Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-[(3S)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone Traditional Name: [1-(4-ethylbenzyl)piperidin-1-ium-4-yl]-[(3S)-3-methylpiperidino]methanone Formula: C21H33N2O+ MolecularWeight: 329.49952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCCC(C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC[C@@H](C3)C

InChI

InChI=1S/C21H32N2O/c1-3-18-6-8-19(9-7-18)16-22-13-10-20(11-14-22)21(24)23-12-4-5-17(2)15-23/h6-9,17,20H,3-5,10-16H2,1-2H3/p+1/t17-/m0/s1