isoquinolin-5-ylmethyl-(2-methoxyethyl)-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: isoquinolin-5-ylmethyl-(2-methoxyethyl)-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]azanium Openeye Name: 5-isoquinolylmethyl-(2-methoxyethyl)-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: 5-isoquinolinylmethyl-(2-methoxyethyl)-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: isoquinolin-5-ylmethyl-(2-methoxyethyl)-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]azanium Traditional Name: 5-isoquinolylmethyl-(2-methoxyethyl)-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C27H37N3O2+2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2OC)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COCC[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2OC)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C27H35N3O2/c1-31-17-16-30(20-24-8-5-7-23-18-28-13-10-26(23)24)19-22-11-14-29(15-12-22)21-25-6-3-4-9-27(25)32-2/h3-10,13,18,22H,11-12,14-17,19-21H2,1-2H3/p+2