1-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-piperidin-1-iumyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Formula: C23H36N5O+ MolecularWeight: 398.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H35N5O/c1-4-23-24-18(2)22(25-23)17-26-11-5-6-20(16-26)28-14-12-27(13-15-28)19-7-9-21(29-3)10-8-19/h7-10,20H,4-6,11-17H2,1-3H3,(H,24,25)/p+1/t20-/m0/s1