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

Systemtic Name: methyl-phenethyl-[(3S)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]azanium Openeye Name: methyl-phenethyl-[(3S)-1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-3-piperidyl]ammonium CAS Name: methyl-phenethyl-[(3S)-1-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-3-piperidinyl]ammonium IUPAC Name: methyl-phenethyl-[(3S)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]azanium Traditional Name: methyl-phenethyl-[(3S)-1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]-3-piperidyl]ammonium Formula: C22H29N4S+ MolecularWeight: 381.55746

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)CC3=CC=CN3C4=NC=CS4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=CC=CN3C4=NC=CS4

InChI

InChI=1S/C22H28N4S/c1-24(15-11-19-7-3-2-4-8-19)20-9-5-13-25(17-20)18-21-10-6-14-26(21)22-23-12-16-27-22/h2-4,6-8,10,12,14,16,20H,5,9,11,13,15,17-18H2,1H3/p+1/t20-/m0/s1