[(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[[2-(dimethylamino)thiazol-5-yl]methyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[[2-(dimethylamino)-5-thiazolyl]methyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[[2-(dimethylamino)thiazol-5-yl]methyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C20H31N4S+ MolecularWeight: 359.55194

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)CC3=CN=C(S3)N(C)C

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=CN=C(S3)N(C)C

InChI

InChI=1S/C20H30N4S/c1-22(2)20-21-14-19(25-20)16-24-12-7-10-18(15-24)23(3)13-11-17-8-5-4-6-9-17/h4-6,8-9,14,18H,7,10-13,15-16H2,1-3H3/p+1/t18-/m0/s1