(2R)-N-cyclopentyl-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclopentyl-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cyclopentyl-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cyclopentyl-2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclopentyl-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cyclopentyl-2-[4-(2,5-dimethoxybenzyl)piperazin-1-ium-1-yl]propionamide Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CCN(CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)[NH+]2CCN(CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H33N3O3/c1-16(21(25)22-18-6-4-5-7-18)24-12-10-23(11-13-24)15-17-14-19(26-2)8-9-20(17)27-3/h8-9,14,16,18H,4-7,10-13,15H2,1-3H3,(H,22,25)/p+1/t16-/m1/s1