[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-(m-tolylmethyl)piperazin-1-yl]-4-oxo-butyl]ammonium CAS Name: [4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-4-oxobutyl]ammonium IUPAC Name: [4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[4-(3-methylbenzyl)piperazino]butyl]ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC[NH3+]

InChI

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