[(2S,3S)-3-methyl-1-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-3-methyl-1-[[4-(4-methylpiperidin-1-yl)phenyl]amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[[4-(4-methyl-1-piperidyl)phenyl]carbamoyl]butyl]ammonium CAS Name: [(2S,3S)-3-methyl-1-[4-(4-methyl-1-piperidinyl)anilino]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3S)-3-methyl-1-[4-(4-methylpiperidin-1-yl)anilino]-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2S)-2-methyl-1-[[4-(4-methylpiperidino)phenyl]carbamoyl]butyl]ammonium Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)N2CCC(CC2)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)N2CCC(CC2)C)[NH3+]

InChI

InChI=1S/C18H29N3O/c1-4-14(3)17(19)18(22)20-15-5-7-16(8-6-15)21-11-9-13(2)10-12-21/h5-8,13-14,17H,4,9-12,19H2,1-3H3,(H,20,22)/p+1/t14-,17-/m0/s1