N-[(1R)-1-cyclopropylethyl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyclopropylethyl]-2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(1R)-1-cyclopropylethyl]-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(1R)-1-cyclopropylethyl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H35N3O+2 MolecularWeight: 345.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)C3CC3

Isomeric SMILES

C[C@H](C1CC1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H33N3O/c1-16(2)19-6-4-18(5-7-19)14-23-10-12-24(13-11-23)15-21(25)22-17(3)20-8-9-20/h4-7,16-17,20H,8-15H2,1-3H3,(H,22,25)/p+2/t17-/m1/s1