2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C28H30N3O2+ MolecularWeight: 440.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O2/c1-21(32)31-14-13-23-8-3-5-12-26(23)27(31)19-28(33)30-17-15-29(16-18-30)20-24-10-6-9-22-7-2-4-11-25(22)24/h2-14,27H,15-20H2,1H3/p+1/t27-/m1/s1