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

Systemtic Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(4-ethylphenyl)methyl]-4-piperidin-1-iumyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(4-ethylbenzyl)piperidin-1-ium-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC

InChI

InChI=1S/C21H33N3O/c1-3-18-5-7-19(8-6-18)17-23-11-9-20(10-12-23)21(25)24-15-13-22(4-2)14-16-24/h5-8,20H,3-4,9-17H2,1-2H3/p+2