[(3R)-3-butyl-4-(1H-imidazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(3R)-3-butyl-4-(1H-imidazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]-naphthalen-1-yl-methanone Openeye Name: [(3R)-3-butyl-4-(1H-imidazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]-(1-naphthyl)methanone CAS Name: [(3R)-3-butyl-4-(1H-imidazol-2-yl)-1-methyl-1-piperazin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3R)-3-butyl-4-(1H-imidazol-2-yl)-1-methylpiperazin-1-ium-1-yl]-naphthalen-1-ylmethanone Traditional Name: [(3R)-3-butyl-4-(1H-imidazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]-(1-naphthyl)methanone Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C[N+](CCN1C2=NC=CN2)(C)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCC[C@@H]1C[N+](CCN1C2=NC=CN2)(C)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H29N4O/c1-3-4-10-19-17-27(2,16-15-26(19)23-24-13-14-25-23)22(28)21-12-7-9-18-8-5-6-11-20(18)21/h5-9,11-14,19H,3-4,10,15-17H2,1-2H3,(H,24,25)/q+1/t19-,27?/m1/s1