5-methoxy-3-methyl-2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 5-methoxy-3-methyl-2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 5-methoxy-3-methyl-2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole CAS Name: 5-methoxy-3-methyl-2-[[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidin-1-iumyl]methyl]-1H-indole IUPAC Name: 5-methoxy-3-methyl-2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 5-methoxy-3-methyl-2-[[(3S)-3-(4-phenylpiperazino)piperidin-1-ium-1-yl]methyl]-1H-indole Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)OC)C[NH+]3CCCC(C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)OC)C[NH+]3CCC[C@@H](C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H34N4O/c1-20-24-17-23(31-2)10-11-25(24)27-26(20)19-28-12-6-9-22(18-28)30-15-13-29(14-16-30)21-7-4-3-5-8-21/h3-5,7-8,10-11,17,22,27H,6,9,12-16,18-19H2,1-2H3/p+1/t22-/m0/s1