2-azanyl-N,6-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyrimidine-4-carboxamide

Systemtic Name: 2-azanyl-N,6-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyrimidine-4-carboxamide Openeye Name: 2-amino-N,6-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyrimidine-4-carboxamide CAS Name: 2-amino-N,6-dimethyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N,6-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyrimidine-4-carboxamide Traditional Name: 2-amino-N,6-dimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]pyrimidine-4-carboxamide Formula: C21H30N5O+ MolecularWeight: 368.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N(C)C2CCC[NH+](C2)CCCC3=CC=CC=C3)N

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3)N

InChI

InChI=1S/C21H29N5O/c1-16-14-19(24-21(22)23-16)20(27)25(2)18-11-7-13-26(15-18)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3,(H2,22,23,24)/p+1/t18-/m0/s1