(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C28H40N4O+2 MolecularWeight: 448.6434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)OC)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)OC)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

InChI

InChI=1S/C28H38N4O/c1-21-26-16-25(33-2)9-10-27(26)30-28(21)20-31(19-23-6-5-13-29-17-23)18-22-11-14-32(15-12-22)24-7-3-4-8-24/h5-6,9-10,13,16-17,22,24,30H,3-4,7-8,11-12,14-15,18-20H2,1-2H3/p+2