N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-3-(pyrimidin-2-ylamino)propanamide

Systemtic Name: N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-3-(pyrimidin-2-ylamino)propanamide Openeye Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide CAS Name: N-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]ethyl]-3-(2-pyrimidinylamino)propanamide IUPAC Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide Traditional Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-3-(2-pyrimidylamino)propionamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCNC(=O)CCNC2=NC=CC=N2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1CCNC(=O)CCNC2=NC=CC=N2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O/c27-20(8-14-25-21-23-11-4-12-24-21)22-13-7-18-9-15-26(16-10-18)17-19-5-2-1-3-6-19/h1-6,11-12,18H,7-10,13-17H2,(H,22,27)(H,23,24,25)/p+1