1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]ethanone Formula: C26H30N3O+ MolecularWeight: 400.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O/c30-26(29-13-12-21-6-1-2-8-23(21)19-29)20-28-16-14-27(15-17-28)18-24-10-5-9-22-7-3-4-11-25(22)24/h1-11H,12-20H2/p+1