[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(CC(C)C)[NH3+])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)[C@H](CC(C)C)[NH3+])C

InChI

InChI=1S/C18H29N3O/c1-13(2)12-16(19)18(22)21-10-8-20(9-11-21)17-7-5-6-14(3)15(17)4/h5-7,13,16H,8-12,19H2,1-4H3/p+1/t16-/m0/s1