(3S)-1-(cyclohexylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(cyclohexylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-(cyclohexylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(cyclohexylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(cyclohexylmethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-(2,3,4-trimethoxybenzyl)amine Formula: C22H37N2O3+ MolecularWeight: 377.54078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC2CCC[NH+](C2)CC3CCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN[C@H]2CCC[NH+](C2)CC3CCCCC3)OC)OC

InChI

InChI=1S/C22H36N2O3/c1-25-20-12-11-18(21(26-2)22(20)27-3)14-23-19-10-7-13-24(16-19)15-17-8-5-4-6-9-17/h11-12,17,19,23H,4-10,13-16H2,1-3H3/p+1/t19-/m0/s1