N-[(1R)-1-cyclopropylethyl]-N-(phenylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-N-(phenylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-benzyl-N-[(1R)-1-cyclopropylethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-cyclopropylethyl]-N-(phenylmethyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-N-[(1R)-1-cyclopropylethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-benzyl-N-[(1R)-1-cyclopropylethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C1CC1)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N5O/c1-18(20-8-9-20)27(16-19-6-3-2-4-7-19)21(28)17-25-12-14-26(15-13-25)22-23-10-5-11-24-22/h2-7,10-11,18,20H,8-9,12-17H2,1H3/p+1/t18-/m1/s1