[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-(o-tolylmethyl)piperazin-1-yl]-4-oxo-butyl]ammonium CAS Name: [4-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-4-oxobutyl]ammonium IUPAC Name: [4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[4-(2-methylbenzyl)piperazino]butyl]ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)CCC[NH3+]

InChI

InChI=1S/C16H25N3O/c1-14-5-2-3-6-15(14)13-18-9-11-19(12-10-18)16(20)7-4-8-17/h2-3,5-6H,4,7-13,17H2,1H3/p+1