(3,4-dimethoxyphenyl)-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=CC4=C3C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC4=C3C=CN=C4)OC

InChI

InChI=1S/C24H26N2O3/c1-28-22-9-8-17(13-23(22)29-2)24(27)20-7-4-12-26(16-20)15-19-6-3-5-18-14-25-11-10-21(18)19/h3,5-6,8-11,13-14,20H,4,7,12,15-16H2,1-2H3/p+1/t20-/m0/s1