[5-chloranyl-1-(phenylmethyl)indol-2-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [5-chloranyl-1-(phenylmethyl)indol-2-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: (1-benzyl-5-chloro-indol-2-yl)-piperazin-4-ium-1-yl-methanone CAS Name: [5-chloro-1-(phenylmethyl)-2-indolyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: (1-benzyl-5-chloroindol-2-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: (1-benzyl-5-chloro-indol-2-yl)-piperazin-4-ium-1-yl-methanone Formula: C20H21ClN3O+ MolecularWeight: 354.85324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C20H20ClN3O/c21-17-6-7-18-16(12-17)13-19(20(25)23-10-8-22-9-11-23)24(18)14-15-4-2-1-3-5-15/h1-7,12-13,22H,8-11,14H2/p+1