[(3S)-3-phenethylpiperidin-1-yl]-[2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-5-yl]methanone

Systemtic Name: [(3S)-3-phenethylpiperidin-1-yl]-[2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-5-yl]methanone Openeye Name: [(3S)-3-phenethyl-1-piperidyl]-[2-(pyrrolidin-1-ium-1-ylmethyl)thiazol-5-yl]methanone CAS Name: [(3S)-3-phenethyl-1-piperidinyl]-[2-(1-pyrrolidin-1-iumylmethyl)-5-thiazolyl]methanone IUPAC Name: [(3S)-3-phenethylpiperidin-1-yl]-[2-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-5-yl]methanone Traditional Name: [(3S)-3-phenethylpiperidino]-[2-(pyrrolidin-1-ium-1-ylmethyl)thiazol-5-yl]methanone Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC=C(S2)C(=O)N3CCCC(C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=NC=C(S2)C(=O)N3CCC[C@@H](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H29N3OS/c26-22(20-15-23-21(27-20)17-24-12-4-5-13-24)25-14-6-9-19(16-25)11-10-18-7-2-1-3-8-18/h1-3,7-8,15,19H,4-6,9-14,16-17H2/p+1/t19-/m1/s1