[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-[(1R)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-[(1R)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-[(1R)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-[(1R)-2-methyl-1-phenylpropyl]azanium Traditional Name: [3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-[(1R)-2-methyl-1-phenyl-propyl]ammonium Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)[NH2+]CCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC(C)[C@H](C1=CC=CC=C1)[NH2+]CCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H21N3OS/c1-13(2)17(14-6-4-3-5-7-14)20-10-8-16(22)21-18-15(12-19)9-11-23-18/h3-7,9,11,13,17,20H,8,10H2,1-2H3,(H,21,22)/p+1/t17-/m1/s1