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

Systemtic Name: 2-[[3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]carbonyl-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]oxybenzoyl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[1-[[(1S)-1-cyclohex-3-enyl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]oxybenzoyl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-1-ium-4-yl]oxybenzoyl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C24H39N3O2+2 MolecularWeight: 401.58536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C)C(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CC3CCC=CC3

Isomeric SMILES

C[NH+](C)CCN(C)C(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)C[C@H]3CCC=CC3

InChI

InChI=1S/C24H37N3O2/c1-25(2)16-17-26(3)24(28)21-10-7-11-23(18-21)29-22-12-14-27(15-13-22)19-20-8-5-4-6-9-20/h4-5,7,10-11,18,20,22H,6,8-9,12-17,19H2,1-3H3/p+2/t20-/m1/s1