3-methyl-1-[4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(2-naphthylmethyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(2-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(2-naphthylmethyl)piperazin-4-ium-1-yl]butan-1-one Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H26N2O/c1-16(2)13-20(23)22-11-9-21(10-12-22)15-17-7-8-18-5-3-4-6-19(18)14-17/h3-8,14,16H,9-13,15H2,1-2H3/p+1