N-(3,4-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3,4-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: N-(3,4-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: N-(3,4-dimethylphenyl)-3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(3,4-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: N-(3,4-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C17H29N3O2+2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CCO)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CCO)C

InChI

InChI=1S/C17H27N3O2/c1-14-3-4-16(13-15(14)2)18-17(22)5-6-19-7-9-20(10-8-19)11-12-21/h3-4,13,21H,5-12H2,1-2H3,(H,18,22)/p+2