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

Systemtic Name: [(2S)-4-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-3-methyl-1-[4-(o-tolylmethyl)piperazine-1-carbonyl]butyl]ammonium CAS Name: [(2S)-4-methyl-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-4-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-3-methyl-1-[4-(2-methylbenzyl)piperazine-1-carbonyl]butyl]ammonium Formula: C18H30N3O+ MolecularWeight: 304.4503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-14(2)12-17(19)18(22)21-10-8-20(9-11-21)13-16-7-5-4-6-15(16)3/h4-7,14,17H,8-13,19H2,1-3H3/p+1/t17-/m0/s1