[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-isopropyl-ammonium CAS Name: [3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-propan-2-ylazanium Traditional Name: benzyl-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-isopropyl-ammonium Formula: C18H22N3OS+ MolecularWeight: 328.45178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=CC=CC=C2

InChI

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