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

Systemtic Name: (2R)-N-cyclopropyl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-cyclopropyl-2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-cyclopropyl-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-cyclopropyl-2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]propionamide Formula: C20H33N3O+2 MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C(C)C(=O)NC3CC3

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H31N3O/c1-15(2)18-6-4-17(5-7-18)14-22-10-12-23(13-11-22)16(3)20(24)21-19-8-9-19/h4-7,15-16,19H,8-14H2,1-3H3,(H,21,24)/p+2/t16-/m1/s1