2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amino]methyl]indol-1-yl]ethanamide

Systemtic Name: 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amino]methyl]indol-1-yl]ethanamide Openeye Name: 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amino]methyl]indol-1-yl]acetamide CAS Name: 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]amino]methyl]-1-indolyl]acetamide IUPAC Name: 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amino]methyl]indol-1-yl]acetamide Traditional Name: 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]amino]methyl]indol-1-yl]acetamide Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC(=O)N)CNC3CCC[NH+](C3)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC(=O)N)CN[C@H]3CCC[NH+](C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O/c1-20-24(23-13-5-6-14-25(23)30(20)19-26(27)31)17-28-22-12-8-16-29(18-22)15-7-11-21-9-3-2-4-10-21/h2-6,9-10,13-14,22,28H,7-8,11-12,15-19H2,1H3,(H2,27,31)/p+1/t22-/m0/s1