[1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(3-bromophenyl)methyl]-4-piperidin-1-iumyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(3-bromophenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(3-bromobenzyl)piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C19H30BrN3O+2 MolecularWeight: 396.365

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H28BrN3O/c1-2-21-10-12-23(13-11-21)19(24)17-6-8-22(9-7-17)15-16-4-3-5-18(20)14-16/h3-5,14,17H,2,6-13,15H2,1H3/p+2