(3S)-N-(3,4-dimethylphenyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethylphenyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethylphenyl)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethylphenyl)-1-[(2-methyl-5-thiazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethylphenyl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (3,4-dimethylphenyl)-[(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C18H26N3S+ MolecularWeight: 316.48414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCC[NH+](C2)CC3=CN=C(S3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)CC3=CN=C(S3)C)C

InChI

InChI=1S/C18H25N3S/c1-13-6-7-16(9-14(13)2)20-17-5-4-8-21(11-17)12-18-10-19-15(3)22-18/h6-7,9-10,17,20H,4-5,8,11-12H2,1-3H3/p+1/t17-/m0/s1