N-(isoquinolin-5-ylmethyl)-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine

Systemtic Name: N-(isoquinolin-5-ylmethyl)-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine Openeye Name: N-(5-isoquinolylmethyl)-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine CAS Name: N-(5-isoquinolinylmethyl)-2-(4-methoxyphenyl)-N-[(1-methyl-4-piperidin-1-iumyl)methyl]ethanamine IUPAC Name: N-(isoquinolin-5-ylmethyl)-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine Traditional Name: 5-isoquinolylmethyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]amine Formula: C26H34N3O+ MolecularWeight: 404.56766

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H33N3O/c1-28-15-11-22(12-16-28)19-29(17-13-21-6-8-25(30-2)9-7-21)20-24-5-3-4-23-18-27-14-10-26(23)24/h3-10,14,18,22H,11-13,15-17,19-20H2,1-2H3/p+1