2-[[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[1-(4-ethylbenzyl)piperidin-1-ium-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C26H39N3O+2 MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3

InChI

InChI=1S/C26H37N3O/c1-4-22-10-12-24(13-11-22)20-28-16-14-25(15-17-28)26(30)29(19-18-27(2)3)21-23-8-6-5-7-9-23/h5-13,25H,4,14-21H2,1-3H3/p+2