1-(2-methoxyphenyl)-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(1-methyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Formula: C21H32N5O+ MolecularWeight: 370.51168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H31N5O/c1-23-11-9-22-21(23)17-24-10-5-6-18(16-24)25-12-14-26(15-13-25)19-7-3-4-8-20(19)27-2/h3-4,7-9,11,18H,5-6,10,12-17H2,1-2H3/p+1/t18-/m0/s1