(3S)-1-[(3-methoxyphenyl)methyl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(3-methoxyphenyl)methyl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-m-anisylpiperidin-1-ium-3-yl]-[(2-pyrrolidinothiazol-5-yl)methyl]amine Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C2)NCC3=CN=C(S3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)NCC3=CN=C(S3)N4CCCC4

InChI

InChI=1S/C21H30N4OS/c1-26-19-8-4-6-17(12-19)15-24-9-5-7-18(16-24)22-13-20-14-23-21(27-20)25-10-2-3-11-25/h4,6,8,12,14,18,22H,2-3,5,7,9-11,13,15-16H2,1H3/p+1/t18-/m0/s1