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

Systemtic Name: 4-chloranyl-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine Openeye Name: 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]thiazol-2-amine CAS Name: 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]-2-thiazolamine IUPAC Name: 4-chloro-N,N-dimethyl-5-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine Traditional Name: [4-chloro-5-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]thiazol-2-yl]-dimethyl-amine Formula: C21H31ClN5S+ MolecularWeight: 421.02234

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=C(S1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CN(C)C1=NC(=C(S1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H30ClN5S/c1-24(2)21-23-20(22)19(28-21)16-25-10-6-9-18(15-25)27-13-11-26(12-14-27)17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3/p+1/t18-/m0/s1