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

Systemtic Name: methyl-phenethyl-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]azanium Openeye Name: methyl-phenethyl-[(3S)-1-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]-3-piperidyl]ammonium CAS Name: methyl-phenethyl-[(3S)-1-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-3-piperidinyl]ammonium IUPAC Name: methyl-phenethyl-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]azanium Traditional Name: methyl-phenethyl-[(3S)-1-[(2-pyrrolidinothiazol-5-yl)methyl]-3-piperidyl]ammonium Formula: C22H33N4S+ MolecularWeight: 385.58922

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)CC3=CN=C(S3)N4CCCC4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=CN=C(S3)N4CCCC4

InChI

InChI=1S/C22H32N4S/c1-24(15-11-19-8-3-2-4-9-19)20-10-7-12-25(17-20)18-21-16-23-22(27-21)26-13-5-6-14-26/h2-4,8-9,16,20H,5-7,10-15,17-18H2,1H3/p+1/t20-/m0/s1