[4-(3-chlorophenyl)piperazin-1-yl]-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]methanone

Systemtic Name: [4-(3-chlorophenyl)piperazin-1-yl]-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]methanone Openeye Name: [4-(3-chlorophenyl)piperazin-1-yl]-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]methanone CAS Name: [4-(3-chlorophenyl)-1-piperazinyl]-[1-(1-piperidin-1-iumylmethyl)-3-indolyl]methanone IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]methanone Traditional Name: [4-(3-chlorophenyl)piperazino]-[1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]methanone Formula: C25H30ClN4O+ MolecularWeight: 437.9849

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC[NH+](CC1)CN2C=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H29ClN4O/c26-20-7-6-8-21(17-20)28-13-15-29(16-14-28)25(31)23-18-30(19-27-11-4-1-5-12-27)24-10-3-2-9-22(23)24/h2-3,6-10,17-18H,1,4-5,11-16,19H2/p+1