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

Systemtic Name: [(2S,3R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2R)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3R)-1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2R)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-butyl]ammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)[NH3+]

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)[NH3+]

InChI

InChI=1S/C17H27N3O2/c1-4-13(2)16(18)17(21)20-11-9-19(10-12-20)14-5-7-15(22-3)8-6-14/h5-8,13,16H,4,9-12,18H2,1-3H3/p+1/t13-,16+/m1/s1