2-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumyl]-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C24H39N3O+2 MolecularWeight: 385.58596

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3CCC=CC3

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)C[C@H]3CCC=CC3

InChI

InChI=1S/C24H37N3O/c1-25(2)17-18-27(20-22-11-7-4-8-12-22)24(28)23-13-15-26(16-14-23)19-21-9-5-3-6-10-21/h3-5,7-8,11-12,21,23H,6,9-10,13-20H2,1-2H3/p+2/t21-/m1/s1