3-methyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(3-phenylpropyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(3-phenylpropyl)piperazin-4-ium-1-yl]butan-1-one Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CCCC2=CC=CC=C2

InChI

InChI=1S/C18H28N2O/c1-16(2)15-18(21)20-13-11-19(12-14-20)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3/p+1